N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1H-imidazole-5-carboxamide

C22H19FN8O — CID 118538972

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)[nH]1
InChIInChI=1S/C22H19FN8O/c1-12-24-10-17(25-12)22(32)28-18-11-31-19(27-18)9-8-16(29-31)21-20(26-13(2)30(21)3)14-4-6-15(23)7-5-14/h4-11H,1-3H3,(H,24,25)(H,28,32)
InChIKeyKFSWQSWMSHGVMP-UHFFFAOYSA-N
MW430.45 g/mol
LogP3.53
Rot. Bonds4

About N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1H-imidazole-5-carboxamide

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1H-imidazole-5-carboxamide (PubChem CID 118538972) has the molecular formula C22H19FN8O and a molecular weight of 430.45 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1H-imidazole-5-carboxamide
PubChem CID118538972
Molecular FormulaC22H19FN8O
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)[nH]1
InChIInChI=1S/C22H19FN8O/c1-12-24-10-17(25-12)22(32)28-18-11-31-19(27-18)9-8-16(29-31)21-20(26-13(2)30(21)3)14-4-6-15(23)7-5-14/h4-11H,1-3H3,(H,24,25)(H,28,32)
InChIKeyKFSWQSWMSHGVMP-UHFFFAOYSA-N
XLogP3.53
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1H-imidazole-5-carboxamide (CID 118538972) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)[nH]1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1H-imidazole-5-carboxamide?
The InChIKey is KFSWQSWMSHGVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8O/c1-12-24-10-17(25-12)22(32)28-18-11-31-19(27-18)9-8-16(29-31)21-20(26-13(2)30(21)3)14-4-6-15(23)7-5-14/h4-11H,1-3H3,(H,24,25)(H,28,32).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1H-imidazole-5-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1H-imidazole-5-carboxamide has a molecular weight of 430.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 118538972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).